4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole

C43H75N9O — CID 160786993

IUPAC4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole
SMILESCC(C)(C)c1cn[nH]c1.CC(C)n1nccc1C(C)(C)C.Cc1c(C(C)(C)C)cnn1C.Cc1noc(C)c1C(C)(C)C.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C10H18N2.C9H16N2.C9H15NO.C8H14N2.C7H12N2/c1-8(2)12-9(6-7-11-12)10(3,4)5;1-7-8(9(2,3)4)6-10-11(7)5;1-6-8(9(3,4)5)7(2)11-10-6;1-8(2,3)7-5-9-10(4)6-7;1-7(2,3)6-4-8-9-5-6/h6-8H,1-5H3;6H,1-5H3;1-5H3;5-6H,1-4H3;4-5H,1-3H3,(H,8,9)
InChIKeySBILJPPINFLQRT-UHFFFAOYSA-N
MW734.14 g/mol
LogP10.80
Rot. Bonds1

About 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole

4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole (PubChem CID 160786993) has the molecular formula C43H75N9O and a molecular weight of 734.14 g/mol. Its IUPAC name is 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole.

Molecular Properties

Compound Name4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole
PubChem CID160786993
Molecular FormulaC43H75N9O
Molecular Weight734.14 g/mol
Exact Mass733.61
IUPAC Name4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole
SMILESCC(C)(C)c1cn[nH]c1.CC(C)n1nccc1C(C)(C)C.Cc1c(C(C)(C)C)cnn1C.Cc1noc(C)c1C(C)(C)C.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C10H18N2.C9H16N2.C9H15NO.C8H14N2.C7H12N2/c1-8(2)12-9(6-7-11-12)10(3,4)5;1-7-8(9(2,3)4)6-10-11(7)5;1-6-8(9(3,4)5)7(2)11-10-6;1-8(2,3)7-5-9-10(4)6-7;1-7(2,3)6-4-8-9-5-6/h6-8H,1-5H3;6H,1-5H3;1-5H3;5-6H,1-4H3;4-5H,1-3H3,(H,8,9)
InChIKeySBILJPPINFLQRT-UHFFFAOYSA-N
XLogP10.80
TPSA108.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.14
LogP ≤ 510.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1-methylpyrazole
CID 162158293
5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole
CID 158824181
4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-1H-pyrazole;(4-tert-butyl-2-pyridinyl)methanol
CID 158691963
4-tert-butyl-1H-pyrazole;ethane
CID 142062876
4-tert-butyl-1,5-dimethylpyrazole;formamide
CID 155706087
2-(2-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 83384729
1-propan-2-yl-5-(trifluoromethyl)pyrazole
CID 88996341
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazol-4-amine
CID 43539826
1-methoxy-N-[2-(1-methylpyrazol-4-yl)propan-2-yl]propan-2-amine
CID 115920642
1-(2-methylcyclopropyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 130705017
4-tert-butyl-1,5-dimethylindazole
CID 138655344
4-tert-butyl-1-[2-methyl-2-(1-methylpyrazol-4-yl)propyl]pyridin-1-ium
CID 170215612

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole?
The IUPAC name of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole (CID 160786993) is 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole.
What is the SMILES notation for 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole?
The canonical SMILES for 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole is CC(C)(C)c1cn[nH]c1.CC(C)n1nccc1C(C)(C)C.Cc1c(C(C)(C)C)cnn1C.Cc1noc(C)c1C(C)(C)C.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole?
The InChIKey is SBILJPPINFLQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C9H16N2.C9H15NO.C8H14N2.C7H12N2/c1-8(2)12-9(6-7-11-12)10(3,4)5;1-7-8(9(2,3)4)6-10-11(7)5;1-6-8(9(3,4)5)7(2)11-10-6;1-8(2,3)7-5-9-10(4)6-7;1-7(2,3)6-4-8-9-5-6/h6-8H,1-5H3;6H,1-5H3;1-5H3;5-6H,1-4H3;4-5H,1-3H3,(H,8,9).
What are the key properties of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole?
4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole has a molecular weight of 734.14 g/mol, XLogP of 10.80, 1 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole is sourced from PubChem (CID 160786993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).